Desulfurization of hexyl sulfide and hexanethiol using supercritical water
作者： Jimoon Kang , Seungjae Sim , Hyunwook Jung , Byungchan Han , Youn-Woo Lee
DOI: 10.1016/J.SUPFLU.2019.104734
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摘要: Abstract Desulfurization of hexyl sulfide and hexanethiol using supercritical water (SCW) was investigated by combining experimental computational methods to study the desulfurization alkyl sulfides thiols in SCW. conducted for 0 ∼ 30 min at 400 °C thermal decomposition SCW (24.7 25.6 MPa), reaction pathways were built automated Reaction Mechanism Generator (RMG) Gaussian 09. In decomposition, C6-hydrocarbons (hexane, hexene) are main products, but SCW, C5-hydrocarbon (pentane) addition products with higher alkane alkene ratio. For pathways, participates as catalysts reactants donating hydrogens inhibited production cyclic while hydrogen deficient producing aromatic sulfur compounds such thiophenes alkyl-thiacycloalkanes. This is expected clarify reactions
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